5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl-(2-methanesulfonylethyl)carbamic acid tert-butyl ester | 1009307-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl-(2-methanesulfonylethyl)carbamic acid tert-butyl ester
• 英文别名: 5-{4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl-(2-methanesulfonylethyl)carbamic acid, tert-butyl ester；tert-butyl N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-(2-methylsulfonylethyl)carbamate
• CAS: 1009307-36-1
• 化学式: C₃₄H₃₄ClFN₄O₆S
• 分子量: 681.185
• InChiKey: ACNCFFSWHSQXGG-UHFFFAOYSA-N

物化性质

• 沸点：
  802.2±65.0 °C(Predicted)
• 密度：
  1.348±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl-(2-methanesulfonylethyl)carbamic acid tert-butyl ester 生成 拉帕替尼
  参考文献：
  名称：

  4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF

  摘要：

  本发明涉及新型的4-氨基喹唑啉及其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，以及使用这种组合物治疗通过给予EGFR和HER-2抑制剂有益治疗的疾病和病况的方法。

  公开号：

  US20110053964A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 三乙胺 、 水 、 三乙酰氧基硼氢化钠 、 碳酸氢钠 、 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以69%的产率得到5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl-(2-methanesulfonylethyl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  4-Aminoquinazoline derivatives and methods of use thereof

  摘要：

  这项发明涉及新型的4-氨基喹唑啉，它们的衍生物，药用盐，溶剂合物和水合物。该发明还提供包含本发明化合物的组合物，并将这种组合物用于治疗通过给予EGFR和HER-2抑制剂有益治疗的疾病和症状的方法。

  公开号：

  US20080051422A1

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：UNIV CALIFORNIA

  公开号：WO2019067543A1

  公开（公告）日：2019-04-04

  The present disclosure relates to compounds that are capable penetrating to the blood brain barrier to modulate the activity of EGFR tyrosine kinase. The disclosure further relates to methods of treating Glioblastoma and other EGFR mediated cancers. The disclosure further relates to methods of treating Glioblastoma and other EGFR mediated cancers that have been determined to have altered glucose metabolism in the presence of inhibitors. The present dislcsoure also provides methods oadministering to a subject a glucose metabolism inhibitor and a cytoplasmic p53 stabilizer.

  本公开涉及能够穿透血脑屏障以调节EGFR酪氨酸激酶活性的化合物。该公开进一步涉及治疗胶质母细胞瘤和其他EGFR介导的癌症的方法。该公开还涉及治疗已确定在抑制剂存在下具有改变葡萄糖代谢的胶质母细胞瘤和其他EGFR介导的癌症的方法。本公开还提供了向受试者施用葡萄糖代谢抑制剂和细胞质p53稳定剂的方法。
• Compositions and methods for treating cancer
  申请人：The Regents of the University of California

  公开号：US11377451B2

  公开（公告）日：2022-07-05

  The present disclosure relates to compounds, compositions and methods for treating cancer, including compounds that are capable of penetrating the blood brain barrier to modulate the activity of EGFR tyrosine kinase. The disclosure further relates to methods of treating cancer in the brain, including glioblastoma and other EGFR mediated cancers. The disclosure further relates to methods of treating cancers such as glioblastoma and other EGFR mediated cancers that have been determined to have altered glucose metabolism in the presence of inhibitors. The present disclosure also provides methods of administering to a subject a glucose metabolism inhibitor and a cytoplasmic p53 stabilizer.

  本公开涉及治疗癌症的化合物、组合物和方法，包括能够穿透血脑屏障调节表皮生长因子受体酪氨酸激酶活性的化合物。本公开进一步涉及治疗脑癌的方法，包括胶质母细胞瘤和其他表皮生长因子受体介导的癌症。本公开进一步涉及治疗已确定在抑制剂存在的情况下葡萄糖代谢改变的癌症如胶质母细胞瘤和其他表皮生长因子受体介导的癌症的方法。本公开还提供了向受试者施用葡萄糖代谢抑制剂和细胞质 p53 稳定剂的方法。
• WO2020/190765
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2008024439A2
  申请人：——

  公开号：——

  公开（公告）日：——
• COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：The Regents of the University of California

  公开号：US20200290978A1

  公开（公告）日：2020-09-17

  The present disclosure relates to compounds that are capable penetrating to the blood brain barrier to modulate the activity of EGFR tyrosine kinase. The disclosure further relates to methods of treating glioblastoma and other EGFR mediated cancers. The disclosure further relates to methods of treating glioblastoma and other EGFR mediated cancers that have been determined to have altered glucose metabolism in the presence of inhibitors. The present disclosure also provides methods of administering to a subject a glucose metabolism inhibitor and a cytoplasmic p53 stabilizer.